1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea

C15H21F3N4O — CID 95714073

IUPAC1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
SMILESCC(C)NC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H21F3N4O/c1-10(2)20-14(23)21-12-4-3-7-22(9-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,20,21,23)/t12-/m1/s1
InChIKeyQJNLFWRYKVIISJ-GFCCVEGCSA-N
MW330.35 g/mol
LogP2.78
Rot. Bonds3

About 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea

1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea (PubChem CID 95714073) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
PubChem CID95714073
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
SMILESCC(C)NC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H21F3N4O/c1-10(2)20-14(23)21-12-4-3-7-22(9-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,20,21,23)/t12-/m1/s1
InChIKeyQJNLFWRYKVIISJ-GFCCVEGCSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
1-(3,5-dimethoxyphenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 121142878
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 92671563
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea?
The IUPAC name of 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea (CID 95714073) is 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea is CC(C)NC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea?
The InChIKey is QJNLFWRYKVIISJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-10(2)20-14(23)21-12-4-3-7-22(9-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,20,21,23)/t12-/m1/s1.
What are the key properties of 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea?
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea has a molecular weight of 330.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea is sourced from PubChem (CID 95714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).